2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid

C13H17NO3 — CID 116533034

IUPAC2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid
SMILESCCc1nc2c(cc1C(=O)O)C(C)OC(C)C2
InChIInChI=1S/C13H17NO3/c1-4-11-10(13(15)16)6-9-8(3)17-7(2)5-12(9)14-11/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyKCNAQFXATSTBAX-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.36
Rot. Bonds2

About 2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid

2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid (PubChem CID 116533034) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid
PubChem CID116533034
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid
SMILESCCc1nc2c(cc1C(=O)O)C(C)OC(C)C2
InChIInChI=1S/C13H17NO3/c1-4-11-10(13(15)16)6-9-8(3)17-7(2)5-12(9)14-11/h6-8H,4-5H2,1-3H3,(H,15,16)
InChIKeyKCNAQFXATSTBAX-UHFFFAOYSA-N
XLogP2.36
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid (CID 116533034) is 2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid is CCc1nc2c(cc1C(=O)O)C(C)OC(C)C2.
What is the InChIKey of 2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid?
The InChIKey is KCNAQFXATSTBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-11-10(13(15)16)6-9-8(3)17-7(2)5-12(9)14-11/h6-8H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid?
2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,7-dimethyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 116533034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).